5-fluoro-N-[(2S)-1-fluoropropan-2-yl]pyrimidin-2-amine

C7H9F2N3 — CID 130713087

IUPAC5-fluoro-N-[(2S)-1-fluoropropan-2-yl]pyrimidin-2-amine
SMILESC[C@@H](CF)Nc1ncc(F)cn1
InChIInChI=1S/C7H9F2N3/c1-5(2-8)12-7-10-3-6(9)4-11-7/h3-5H,2H2,1H3,(H,10,11,12)/t5-/m0/s1
InChIKeyCJROJARXMUFCIH-YFKPBYRVSA-N
MW173.17 g/mol
LogP1.39
Rot. Bonds3

About 5-fluoro-N-[(2S)-1-fluoropropan-2-yl]pyrimidin-2-amine

5-fluoro-N-[(2S)-1-fluoropropan-2-yl]pyrimidin-2-amine (PubChem CID 130713087) has the molecular formula C7H9F2N3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 5-fluoro-N-[(2S)-1-fluoropropan-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(2S)-1-fluoropropan-2-yl]pyrimidin-2-amine
PubChem CID130713087
Molecular FormulaC7H9F2N3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name5-fluoro-N-[(2S)-1-fluoropropan-2-yl]pyrimidin-2-amine
SMILESC[C@@H](CF)Nc1ncc(F)cn1
InChIInChI=1S/C7H9F2N3/c1-5(2-8)12-7-10-3-6(9)4-11-7/h3-5H,2H2,1H3,(H,10,11,12)/t5-/m0/s1
InChIKeyCJROJARXMUFCIH-YFKPBYRVSA-N
XLogP1.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(5-fluoropyrimidin-2-yl)amino]propan-1-ol
CID 130680062
5-fluoro-N-(1-methylsulfonylpropan-2-yl)pyrimidin-2-amine
CID 115750151
N-(3,3-dimethylbutan-2-yl)-5-fluoropyrimidin-2-amine
CID 115750251
5-fluoro-N-octan-2-ylpyrimidin-2-amine
CID 115750005
N-but-3-yn-2-yl-5-fluoropyrimidin-2-amine
CID 114382966
2-N-(5-fluoropyrimidin-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 104606185
2-N-(5-fluoropyrimidin-2-yl)-4-methylpentane-1,2-diamine
CID 104606344
5-fluoro-N-hexan-3-ylpyrimidin-2-amine
CID 115750039
2-[(5-fluoropyrimidin-2-yl)amino]-N-methylpropanamide
CID 115749975
(2S)-2-[(5-fluoropyrimidin-2-yl)amino]butan-1-ol
CID 127002281
5-fluoro-N-(3-methylbutyl)pyrimidin-2-amine
CID 115749812
1-[(5-fluoropyrimidin-2-yl)amino]propan-2-ol
CID 115749831

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(2S)-1-fluoropropan-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[(2S)-1-fluoropropan-2-yl]pyrimidin-2-amine (CID 130713087) is 5-fluoro-N-[(2S)-1-fluoropropan-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(2S)-1-fluoropropan-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[(2S)-1-fluoropropan-2-yl]pyrimidin-2-amine is C[C@@H](CF)Nc1ncc(F)cn1.
What is the InChIKey of 5-fluoro-N-[(2S)-1-fluoropropan-2-yl]pyrimidin-2-amine?
The InChIKey is CJROJARXMUFCIH-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9F2N3/c1-5(2-8)12-7-10-3-6(9)4-11-7/h3-5H,2H2,1H3,(H,10,11,12)/t5-/m0/s1.
What are the key properties of 5-fluoro-N-[(2S)-1-fluoropropan-2-yl]pyrimidin-2-amine?
5-fluoro-N-[(2S)-1-fluoropropan-2-yl]pyrimidin-2-amine has a molecular weight of 173.17 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(2S)-1-fluoropropan-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 130713087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).